Optimised PDB entry 1ra6



Warnings!

Structure
SpacegroupP 65
Cell dimensionsa: 127.590 Åb: 127.590 Åc: 112.971 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 67110Test set: 6807 (10.1%)
Resolution range26.94 Å2.01 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.23100.23600.16660.1694
R-free0.24700.24000.19790.1988
σR-free 0.00290.00240.0024
Z(R-free) 11.52-2.04-1.08

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.819-0.718-0.731
2nd generation packing quality1-1.640-1.385-1.218
Ramachandran plot appearance1-2.450-0.851-0.840
Chi-1/Chi-2 rotamer normality1-2.510-1.630-1.762
Backbone conformation1-0.829-0.828-0.829
Bond length RMS Z-score20.3200.7000.703
Bond angle RMS Z-score20.6200.8260.822
Total number of bumps3702929
Unsatisfied H-bond donors/acceptors3272122
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues404
Significantly deteriorated residues1
Changes of all residuesPlot

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